amber-developers: LCPO coefficient

From: Guanglei Cui <>
Date: Sat, 16 Apr 2005 12:01:53 -0700

Hi, Dave

I sent the following message from to the developer list.
But perhaps because the email address wasn't in the server, the email
didn't show up. So I'm sending it again from
Hopefully, it will show up. If not, below is the message.

Thank you.




Hi, all

I just found a possible typo in mdread.f where it assigns the
coefficients for LCPO (around line 928) for CT (nbond = 1). In Still's
paper (pg. 228), the P1 is 7.7887e-01. The number in mdread.f is
0.7887d0. Can anyone confirm on this? Sorry if this has been reported.


Received on Wed Apr 05 2006 - 23:49:58 PDT
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